3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione

C9H7N3O2S — CID 90789989

IUPAC3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione
SMILESO=C1CSc2cc3[nH]c(=O)[nH]c3cc2N1
InChIInChI=1S/C9H7N3O2S/c13-8-3-15-7-2-5-4(1-6(7)10-8)11-9(14)12-5/h1-2H,3H2,(H,10,13)(H2,11,12,14)
InChIKeyNYXFSGSAVMRACO-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.90
Rot. Bonds

About 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione

3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione (PubChem CID 90789989) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione.

Molecular Properties

Compound Name3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione
PubChem CID90789989
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione
SMILESO=C1CSc2cc3[nH]c(=O)[nH]c3cc2N1
InChIInChI=1S/C9H7N3O2S/c13-8-3-15-7-2-5-4(1-6(7)10-8)11-9(14)12-5/h1-2H,3H2,(H,10,13)(H2,11,12,14)
InChIKeyNYXFSGSAVMRACO-UHFFFAOYSA-N
XLogP0.90
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
The IUPAC name of 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione (CID 90789989) is 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione.
What is the SMILES notation for 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
The canonical SMILES for 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione is O=C1CSc2cc3[nH]c(=O)[nH]c3cc2N1.
What is the InChIKey of 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
The InChIKey is NYXFSGSAVMRACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-8-3-15-7-2-5-4(1-6(7)10-8)11-9(14)12-5/h1-2H,3H2,(H,10,13)(H2,11,12,14).
What are the key properties of 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione?
3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione has a molecular weight of 221.24 g/mol, XLogP of 0.90, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydro-1H-imidazo[4,5-g][1,4]benzothiazine-2,7-dione is sourced from PubChem (CID 90789989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).